2-amino-4,6-bis(trifluoromethyl)pyridine-3-carboxamide

C8H5F6N3O — CID 13148076

IUPAC2-amino-4,6-bis(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)cc(C(F)(F)F)nc1N
InChIInChI=1S/C8H5F6N3O/c9-7(10,11)2-1-3(8(12,13)14)17-5(15)4(2)6(16)18/h1H,(H2,15,17)(H2,16,18)
InChIKeyUWZWJQLLUWGYIW-UHFFFAOYSA-N
MW273.14 g/mol
LogP1.80
Rot. Bonds1

About 2-amino-4,6-bis(trifluoromethyl)pyridine-3-carboxamide

2-amino-4,6-bis(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 13148076) has the molecular formula C8H5F6N3O and a molecular weight of 273.14 g/mol. Its IUPAC name is 2-amino-4,6-bis(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-4,6-bis(trifluoromethyl)pyridine-3-carboxamide
PubChem CID13148076
Molecular FormulaC8H5F6N3O
Molecular Weight273.14 g/mol
Exact Mass273.03
IUPAC Name2-amino-4,6-bis(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1c(C(F)(F)F)cc(C(F)(F)F)nc1N
InChIInChI=1S/C8H5F6N3O/c9-7(10,11)2-1-3(8(12,13)14)17-5(15)4(2)6(16)18/h1H,(H2,15,17)(H2,16,18)
InChIKeyUWZWJQLLUWGYIW-UHFFFAOYSA-N
XLogP1.80
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-bis(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-4,6-bis(trifluoromethyl)pyridine-3-carboxamide (CID 13148076) is 2-amino-4,6-bis(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-4,6-bis(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-4,6-bis(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1c(C(F)(F)F)cc(C(F)(F)F)nc1N.
What is the InChIKey of 2-amino-4,6-bis(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is UWZWJQLLUWGYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6N3O/c9-7(10,11)2-1-3(8(12,13)14)17-5(15)4(2)6(16)18/h1H,(H2,15,17)(H2,16,18).
What are the key properties of 2-amino-4,6-bis(trifluoromethyl)pyridine-3-carboxamide?
2-amino-4,6-bis(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 273.14 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-bis(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 13148076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).